3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

C19H22N6O2S — CID 90539689

IUPAC3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(22-21-18)25-10-9-20-16(25)2/h3-10H,11-14H2,1-2H3
InChIKeyVUOKVBWLMUULNM-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.79
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 90539689) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID90539689
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(22-21-18)25-10-9-20-16(25)2/h3-10H,11-14H2,1-2H3
InChIKeyVUOKVBWLMUULNM-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 90539689) is 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is VUOKVBWLMUULNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(22-21-18)25-10-9-20-16(25)2/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 398.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 90539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).